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Download PDF by N. H. March, M. P. Tosi (auth.): Atomic Dynamics in Liquids

By N. H. March, M. P. Tosi (auth.)

ISBN-10: 1349009296

ISBN-13: 9781349009299

ISBN-10: 1349009318

ISBN-13: 9781349009312

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Extra resources for Atomic Dynamics in Liquids

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The model obviously has the general features of the experimental data. 5 Equation of state of fluid argon We have seen in the Percus-Yevick theory that chs is zero outside a. 6, the tail directly reflecting the Leonard-Jones potential. 6 Direct correlation function c(r) for a hard sphere fluid modified by an attractive potential tail (a) and after smoothing the singularities arising from the infinitely steep repulsive potential (from Woodhead--Galloway, Gaskell and March, 1968) number of workers.

1970; Hansen, 1970), Atomic dynamics in liquids 32 has been proposed by Andersen, Weeks and Chandler (1971). 0 . - - - - - - - - - - - - - - - - - - - - - - - - - - -..... 9 Fourier transform of the total correlation function. 82) from the Percus-Yevick hard-core fluid (from Chandler and Weeks, 1970). The two states refer to per 3 = 0·5426 and ( /31r 1= 1·326 (state I) and to per 3 = 0·844 and ( /38)- 1= 0·723 (state II). er and 8 being the usual parameters of the Lennard-Jones potential. The circles and the triangles are molecular dynamics results by Verlet (1968) for the full Lennard-Jones potential, including an attractive tail Calculation of liquid structure from a law offorce 33 This simple approximation yields excellent agreement with the Monte Carlo data on the equation of state, at the expense of having a hard-core diameter which is dependent on temperature and density.

64). 78) This is in excellent agreement (within about 10%) of the empirical value of a. If we had used the Born-Green asymptotic form, we would have been quite wrong. 64) for argon and enables the equation of state to be calculated directly from the parameters in the force law (Woodhead-Galloway, Gaskell and March, 1968). Actually Longuet-Higgins and Widom used the results of machine calculations for Phs(P, T ). If we are content with slightly less accuracy, we could use the Percus-Yevick result.

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Atomic Dynamics in Liquids by N. H. March, M. P. Tosi (auth.)


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